| SpectraBase Compound ID | 25WkMwzUpyT |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-11-10-13(6-7-14(11)17)21-16(19)9-8-15(18)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3 |
| InChIKey | BKWSNQQNNAURIY-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32ZQgYOTmCc |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-11-10-13(6-7-14(11)17)21-16(19)9-8-15(18)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3 |
| InChIKey | BKWSNQQNNAURIY-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC1CCCC1)=O |